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CHEBI:168576 - (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl octanoate

ChEBI IDCHEBI:168576
ChEBI Name(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl octanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O2
Net Charge0
Average Mass348.571
Monoisotopic Mass348.30283
SMILESCCCCCCCC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H40O2/c1-6-7-8-9-10-17-23(24)25-19-18-22(5)16-12-15-21(4)14-11-13-20(2)3/h13,15,18H,6-12,14,16-17,19H2,1-5H3/b21-15+,22-18+
InChIKeyHHSVAJNBWYMLPB-QMEDZHDISA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl octanoate (CHEBI:168576) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] octanoate
Manual XrefsDatabases
LMFA07010547LIPID MAPS
4509604ChemSpider